https://bugzilla.redhat.com/show_bug.cgi?id=984605
Bug ID: 984605
Summary: Review Request: nwchem - Delivering High-Performance
Computational Chemistry
Product: Fedora
Version: rawhide
Component: Package Review
Severity: medium
Priority: medium
Assignee: nob...@fedoraproject.org
Reporter: marcin.du...@gmail.com
QA Contact: extras...@fedoraproject.org
CC: nott...@redhat.com,
package-review@lists.fedoraproject.org
Spec URL: http://marcindulak.fedorapeople.org/packages/nwchem/v01/nwchem.spec
SRPM URL:
http://marcindulak.fedorapeople.org/packages/nwchem/v01/nwchem-6.3.1-1.fc20.src.rpm
Description:
NWChem aims to provide its users with computational chemistry tools that are
scalable both in their ability to treat large scientific
computational chemistry problems efficiently, and in their use of available
parallel computing resources from high-performance parallel
supercomputers to conventional workstation clusters. Please cite the following
reference when publishing results obtained with NWChem:
M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma,
H.J.J. van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong,
"NWChem: a comprehensive and scalable open-source solution for large scale
molecular simulations" Comput. Phys. Commun. 181, 1477 (2010)
Fedora Account System Username: marcindulak
Note: NWChem claims to be under ECL 2.0 license, but there are many source
files under (L)GPL, BSD, etc, belonging mostly to global arrays package.
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